(5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene

C24H46N2 — CID 141220113

IUPAC(5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene
SMILESC1=C\CCNN2CCCCCCCCC(CCC/1)CCCCCCCC2
InChIInChI=1S/C24H46N2/c1-3-10-16-22-26-23-17-11-4-2-7-13-19-24(18-12-6-1)20-14-8-5-9-15-21-25-26/h5,9,24-25H,1-4,6-8,10-23H2/b9-5-
InChIKeyXTRCOVXQDMCWDL-UITAMQMPSA-N
MW362.65 g/mol
LogP7.01
Rot. Bonds

About (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene

(5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene (PubChem CID 141220113) has the molecular formula C24H46N2 and a molecular weight of 362.65 g/mol. Its IUPAC name is (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene.

Molecular Properties

Compound Name(5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene
PubChem CID141220113
Molecular FormulaC24H46N2
Molecular Weight362.65 g/mol
Exact Mass362.37
IUPAC Name(5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene
SMILESC1=C\CCNN2CCCCCCCCC(CCC/1)CCCCCCCC2
InChIInChI=1S/C24H46N2/c1-3-10-16-22-26-23-17-11-4-2-7-13-19-24(18-12-6-1)20-14-8-5-9-15-21-25-26/h5,9,24-25H,1-4,6-8,10-23H2/b9-5-
InChIKeyXTRCOVXQDMCWDL-UITAMQMPSA-N
XLogP7.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.65
LogP ≤ 57.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Diazabicycloundec-7-ene
CID 129743274
1,1-Diethyl-2-octadec-9-enylhydrazine
CID 54526952
N'-(2-ethylhexyl)octadec-9-ene-1,18-diamine
CID 56617191
1,2-Diazabicyclo[8.8.8]hexacos-10-ene
CID 66584611
1-Cycloundec-5-en-1-yl-1,2-diazacycloundec-7-ene
CID 66986823
1-Cycloundec-5-en-1-yl-1,2-diazacycloundec-5-ene
CID 67649104
1,2,3,4-Tetrazabicyclo[6.6.4]octadec-16-ene
CID 77753871
2-ethyl-1,1-bis[(Z)-octadec-9-enyl]hydrazine
CID 87250860
1,1-diethyl-2-[(Z)-octadec-9-enyl]hydrazine
CID 87265890
(17Z)-10-methyl-1-azacycloheptacos-17-ene
CID 129147305
N'-ethyl-2-[(6Z,9Z,12Z,15Z)-henicosa-6,9,12,15-tetraenyl]-N-methylbutane-1,4-diamine
CID 130374590
1,1-dimethyl-2-[(4E)-7-pentylcyclooct-4-en-1-yl]hydrazine
CID 134266582

Frequently Asked Questions

What is the IUPAC name of (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene?
The IUPAC name of (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene (CID 141220113) is (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene.
What is the SMILES notation for (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene?
The canonical SMILES for (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene is C1=C\CCNN2CCCCCCCCC(CCC/1)CCCCCCCC2.
What is the InChIKey of (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene?
The InChIKey is XTRCOVXQDMCWDL-UITAMQMPSA-N. The full InChI is InChI=1S/C24H46N2/c1-3-10-16-22-26-23-17-11-4-2-7-13-19-24(18-12-6-1)20-14-8-5-9-15-21-25-26/h5,9,24-25H,1-4,6-8,10-23H2/b9-5-.
What are the key properties of (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene?
(5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene has a molecular weight of 362.65 g/mol, XLogP of 7.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-1,2-diazabicyclo[8.8.8]hexacos-5-ene is sourced from PubChem (CID 141220113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).